CID 24970878

1373232-26-8

Structural Information

Molecular Formula
C14H19ClN4O2
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CCl)N)C(=O)N
InChI
InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
InChIKey
BPWATVWOHQZVRP-NSHDSACASA-N
Compound name
N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

69
References

256
Patents

310.11966 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12694 173.0
[M+Na]+ 333.10888 179.3
[M+NH4]+ 328.15348 178.0
[M+K]+ 349.08282 175.0
[M-H]- 309.11238 174.6
[M+Na-2H]- 331.09433 176.1
[M]+ 310.11911 173.9
[M]- 310.12021 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe