CID 8789

1,5-diphenylcarbazide

Structural Information

Molecular Formula
C13H14N4O
SMILES
C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
InChI
InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
InChIKey
KSPIHGBHKVISFI-UHFFFAOYSA-N
Compound name
1,3-dianilinourea
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

118
References

2960
Patents

242.11676 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12404 150.1
[M+Na]+ 265.10598 153.7
[M-H]- 241.10948 156.4
[M+NH4]+ 260.15058 165.5
[M+K]+ 281.07992 150.5
[M+H-H2O]+ 225.11402 141.4
[M+HCOO]- 287.11496 178.3
[M+CH3COO]- 301.13061 200.0
[M+Na-2H]- 263.09143 159.4
[M]+ 242.11621 146.0
[M]- 242.11731 146.0
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