CID 171036766

91993-31-6

Structural Information

Molecular Formula
C37H70N8O2
SMILES
CC1=NC(=NC(=N1)N(CCCCCCN(C)C2CC(N(C(C2)(C)C)[O])(C)C)C3CC(N(C(C3)(C)C)[O])(C)C)NC(C)(C)CC(C)(C)C
InChI
InChI=1S/C37H70N8O2/c1-27-38-30(41-33(5,6)26-32(2,3)4)40-31(39-27)43(29-24-36(11,12)45(47)37(13,14)25-29)21-19-17-16-18-20-42(15)28-22-34(7,8)44(46)35(9,10)23-28/h28-29H,16-26H2,1-15H3,(H,38,39,40,41)
InChIKey
UVDNKLMZRKMNJY-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.5622 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.56948 251.3
[M+Na]+ 681.55142 252.8
[M-H]- 657.55492 255.1
[M+NH4]+ 676.59602 254.5
[M+K]+ 697.52536 253.1
[M+H-H2O]+ 641.55946 242.0
[M+HCOO]- 703.56040 255.8
[M+CH3COO]- 717.57605 291.8
[M+Na-2H]- 679.53687 251.4
[M]+ 658.56165 257.2
[M]- 658.56275 257.2
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.