CID 3073196

Benzoic acid, 4-amino-, 2-(((2-chloroethyl)nitrosoamino)carbonyl)hydrazide

Structural Information

Molecular Formula
C10H12ClN5O3
SMILES
C1=CC(=CC=C1C(=O)NNC(=O)N(CCCl)N=O)N
InChI
InChI=1S/C10H12ClN5O3/c11-5-6-16(15-19)10(18)14-13-9(17)7-1-3-8(12)4-2-7/h1-4H,5-6,12H2,(H,13,17)(H,14,18)
InChIKey
SKYUQLKGOGQTRB-UHFFFAOYSA-N
Compound name
3-[(4-aminobenzoyl)amino]-1-(2-chloroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.06287 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07015 162.3
[M+Na]+ 308.05209 167.5
[M-H]- 284.05559 168.2
[M+NH4]+ 303.09669 178.1
[M+K]+ 324.02603 166.5
[M+H-H2O]+ 268.06013 154.8
[M+HCOO]- 330.06107 187.7
[M+CH3COO]- 344.07672 212.9
[M+Na-2H]- 306.03754 166.5
[M]+ 285.06232 164.0
[M]- 285.06342 164.0
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.