CID 6895603

1-[(e)-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyleneamino]-3-phenyl-urea

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CN1C2=C(C=C(C=C2)/C=N/NC(=O)NC3=CC=CC=C3)N(C1=O)C
InChI
InChI=1S/C17H17N5O2/c1-21-14-9-8-12(10-15(14)22(2)17(21)24)11-18-20-16(23)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,23)/b18-11+
InChIKey
ARRONTYQKWQPEY-WOJGMQOQSA-N
Compound name
1-[(E)-(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

323.1382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 173.9
[M+Na]+ 346.12742 183.4
[M-H]- 322.13092 181.7
[M+NH4]+ 341.17202 188.4
[M+K]+ 362.10136 178.6
[M+H-H2O]+ 306.13546 164.2
[M+HCOO]- 368.13640 201.2
[M+CH3COO]- 382.15205 216.7
[M+Na-2H]- 344.11287 180.0
[M]+ 323.13765 177.3
[M]- 323.13875 177.3
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

No patent data available for this compound.