CID 61002

Phenicarbazide

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1=CC=C(C=C1)NNC(=O)N
InChI
InChI=1S/C7H9N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)
InChIKey
AVKHCKXGKPAGEI-UHFFFAOYSA-N
Compound name
anilinourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

2758
Patents

151.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 128.8
[M+Na]+ 174.06377 134.5
[M-H]- 150.06727 132.0
[M+NH4]+ 169.10837 148.4
[M+K]+ 190.03771 133.0
[M+H-H2O]+ 134.07181 122.2
[M+HCOO]- 196.07275 155.9
[M+CH3COO]- 210.08840 180.8
[M+Na-2H]- 172.04922 136.6
[M]+ 151.07400 124.7
[M]- 151.07510 124.7
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