CID 268103

Nsc108197

Structural Information

Molecular Formula
C26H42N2O
SMILES
CCCCCCCCCCCCCCCCCC1=NC2=CC=CC=C2NC(=O)C1
InChI
InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-22-26(29)28-25-21-18-17-20-24(25)27-23/h17-18,20-21H,2-16,19,22H2,1H3,(H,28,29)
InChIKey
QJGLKJGNFYAVHH-UHFFFAOYSA-N
Compound name
4-heptadecyl-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.3297 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.33698 202.1
[M+Na]+ 421.31892 203.1
[M-H]- 397.32242 201.2
[M+NH4]+ 416.36352 210.4
[M+K]+ 437.29286 200.0
[M+H-H2O]+ 381.32696 192.3
[M+HCOO]- 443.32790 215.3
[M+CH3COO]- 457.34355 225.1
[M+Na-2H]- 419.30437 201.5
[M]+ 398.32915 202.6
[M]- 398.33025 202.6
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.