CID 385043

Nsc675964

Structural Information

Molecular Formula
C60H69N7O12
SMILES
CN(C)C(=O)C1=CC=CC(=C1OC)C2=C(C(=CC=C2)C(=O)NCCN(CCNC(=O)C3=CC=CC(=C3OC)C4=C(C(=CC=C4)C(=O)N(C)C)OC)CCNC(=O)C5=CC=CC(=C5OC)C6=C(C(=CC=C6)C(=O)N(C)C)OC)OC
InChI
InChI=1S/C60H69N7O12/c1-64(2)58(71)46-28-16-22-40(52(46)77-10)37-19-13-25-43(49(37)74-7)55(68)61-31-34-67(35-32-62-56(69)44-26-14-20-38(50(44)75-8)41-23-17-29-47(53(41)78-11)59(72)65(3)4)36-33-63-57(70)45-27-15-21-39(51(45)76-9)42-24-18-30-48(54(42)79-12)60(73)66(5)6/h13-30H,31-36H2,1-12H3,(H,61,68)(H,62,69)(H,63,70)
InChIKey
JWGGTBAIDBNVSU-UHFFFAOYSA-N
Compound name
N-[2-[bis[2-[[3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzoyl]amino]ethyl]amino]ethyl]-3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1079.5004 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1080.5077 339.6
[M+Na]+ 1102.4896 347.5
[M-H]- 1078.4931 349.5
[M+NH4]+ 1097.5342 346.0
[M+K]+ 1118.4636 331.9
[M+H-H2O]+ 1062.4977 317.2
[M+HCOO]- 1124.4986 345.2
[M+CH3COO]- 1138.5143 346.2
[M+Na-2H]- 1100.4751 378.4
[M]+ 1079.4999 391.3
[M]- 1079.5009 391.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.