CID 4149915

102029-41-4

Structural Information

Molecular Formula
C38H45N7O5
SMILES
CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C38H45N7O5/c1-24(2)33(45-36(48)31(21-25-13-6-4-7-14-25)44-34(46)26-15-8-5-9-16-26)37(49)43-30(19-12-20-41-38(39)40)35(47)42-28-22-27-17-10-11-18-29(27)32(23-28)50-3/h4-11,13-18,22-24,30-31,33H,12,19-21H2,1-3H3,(H,42,47)(H,43,49)(H,44,46)(H,45,48)(H4,39,40,41)
InChIKey
QBKHTBZTARAYHC-UHFFFAOYSA-N
Compound name
N-[1-[[1-[[5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

679.3482 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.35548 258.6
[M+Na]+ 702.33742 250.7
[M-H]- 678.34092 265.6
[M+NH4]+ 697.38202 254.5
[M+K]+ 718.31136 252.1
[M+H-H2O]+ 662.34546 245.8
[M+HCOO]- 724.34640 275.4
[M+CH3COO]- 738.36205 296.7
[M+Na-2H]- 700.32287 295.5
[M]+ 679.34765 255.7
[M]- 679.34875 255.7
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.